Geometry & MOs

Info

ID:

314252

PubChem CID:

126621060

Reduced:

SO4N6H26C27 (1)

Stoich.:

AB4C6D26E27 (1)

Weight, g/mol:

472.168145

ΔHf, kcal/mol:

-22.45

Dipole, Da:

5.81

IP(EA), eV:

 -8.71(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(1,3-thiazolidin-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCSCC5)C6=C(C=CC7=C6C=CN7)C(=O)O

DOS

IR

Vibrations